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Methyl (2S)-4-{4-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(tert-butoxy)-3-oxopropyl]-1,3-benzoxazol-2-yl}-2-{[(9H-fluorenyl-9-ylmethyloxy)carbonyl]amino}butanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl (2S)-4-{4-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(tert-butoxy)-3-oxopropyl]-1,3-benzoxazol-2-yl}-2-{[(9H-fluorenyl-9-ylmethyloxy)carbonyl]amino}butanoate
SpectraBase Compound ID DZnHbrkkoz9
InChI InChI=1S/C42H43N3O9/c1-42(2,3)54-39(47)34(44-41(49)51-24-26-13-6-5-7-14-26)23-27-15-12-20-35-37(27)45-36(53-35)22-21-33(38(46)50-4)43-40(48)52-25-32-30-18-10-8-16-28(30)29-17-9-11-19-31(29)32/h5-20,32-34H,21-25H2,1-4H3,(H,43,48)(H,44,49)/t33-,34-/m0/s1
InChIKey UWTVBJTZRSPKGM-HEVIKAOCSA-N
Mol Weight 733.8 g/mol
Molecular Formula C42H43N3O9
Exact Mass 733.29993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 603FORBFYoi
Name Methyl (2S)-4-{4-[(2S)-2-{[(Benzyloxy)carbonyl]amino}-3-(tert-butoxy)-3-oxopropyl]-1,3-benzoxazol-2-yl}-2-{[(9H-fluorenyl-9-ylmethyloxy)carbonyl]amino}butanoate
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Formula C42H43N3O9
InChI InChI=1S/C42H43N3O9/c1-42(2,3)54-39(47)34(44-41(49)51-24-26-13-6-5-7-14-26)23-27-15-12-20-35-37(27)45-36(53-35)22-21-33(38(46)50-4)43-40(48)52-25-32-30-18-10-8-16-28(30)29-17-9-11-19-31(29)32/h5-20,32-34H,21-25H2,1-4H3,(H,43,48)(H,44,49)/t33-,34-/m0/s1
InChIKey UWTVBJTZRSPKGM-HEVIKAOCSA-N
Molecular Weight 733.818 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@](Cc1cccc2c1nc(CC[C@](NC(OCC1c3c(cccc3)-c3c1cccc3)=O)(C(=O)OC)[H])o2)(C(OC(C)(C)C)=O)[H]
SPLASH splash10-004i-0900010000-6f676c46240ef9dc8032
Source of Spectrum J-67-4889-5
Synonyms (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-[4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1,3-benzoxazol-2-yl]butanoic acid methyl ester Methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1,3-benzoxazol-2-yl]butanoate Methyl (2S)-4-[4-[(2S)-2-(benzyloxycarbonylamino)-3-tert-butoxy-3-oxo-propyl]-1,3-benzoxazol-2-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate Methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]-1,3-benzoxazol-2-yl]butanoate
Wiley ID 1570329